Re: question on potential energy for individual atoms

From: Jim Phillips (
Date: Mon Jan 26 2004 - 17:52:55 CST


This feature:

lets you extract interaction energies between groups of atoms, but there's
no way to get the potential of each individual atom.


On Fri, 23 Jan 2004, Hyonseok Hwang wrote:

> Dear all,
> I would like to get potential energy between individual atoms. For
> example, When there are many atoms in simulation box, I would like to
> obtain the potential energies that each atom has. Is there any command
> or options in NAMD or is there any program to extract the potential
> energies from the DCD file or in any other ways?
> Thanks a lot!
> -Hyon

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